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Details

Stereochemistry ACHIRAL
Molecular Formula C29H26ClFN4O5S
Molecular Weight 597.057
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-((HYDROXY(2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-

SMILES

CS(=O)(=O)CCN(O)CC1=CC=C(O1)C2=CC=C3N=CN=C(NC4=CC=C(OCC5=CC=CC(F)=C5)C(Cl)=C4)C3=C2

InChI

InChIKey=WPGSOXVHSRJVIL-UHFFFAOYSA-N
InChI=1S/C29H26ClFN4O5S/c1-41(37,38)12-11-35(36)16-23-7-10-27(40-23)20-5-8-26-24(14-20)29(33-18-32-26)34-22-6-9-28(25(30)15-22)39-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,36H,11-12,16-17H2,1H3,(H,32,33,34)

HIDE SMILES / InChI

Molecular Formula C29H26ClFN4O5S
Molecular Weight 597.057
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:38:54 UTC 2023
Edited
by admin
on Sat Dec 16 14:38:54 UTC 2023
Record UNII
62B2FT6RF5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-QUINAZOLINAMINE, N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-((HYDROXY(2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-
Systematic Name English
LAPATINIB METABOLITE M8
Common Name English
N-(3-CHLORO-4-((3-FLUOROPHENYL)METHOXY)PHENYL)-6-(5-((HYDROXY(2-(METHYLSULFONYL)ETHYL)AMINO)METHYL)-2-FURANYL)-4-QUINAZOLINAMINE
Systematic Name English
Code System Code Type Description
PUBCHEM
118753054
Created by admin on Sat Dec 16 14:38:54 UTC 2023 , Edited by admin on Sat Dec 16 14:38:54 UTC 2023
PRIMARY
CAS
1360431-86-2
Created by admin on Sat Dec 16 14:38:54 UTC 2023 , Edited by admin on Sat Dec 16 14:38:54 UTC 2023
PRIMARY
FDA UNII
62B2FT6RF5
Created by admin on Sat Dec 16 14:38:54 UTC 2023 , Edited by admin on Sat Dec 16 14:38:54 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE